2.02012-07-30 14:55:20 -06002015-06-03 17:21:10 -0600ECMDB21330M2MDB001731EthanesulfonateEthanesulfonate is a member of the chemical class known as Depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually -amino and -hydroxy acids), commonly but not necessarily regularly alternating. It is also called Coenzyme M. Coenzyme M is a coenzyme required for methyl-transfer reactions in the metabolism of methanogens. The coenzyme is an anion with the formula HSCH2CH2SO_3. It is named 2-mercaptoethanesulfonate and abbreviated HS1-THIOETHANEsulfonate1-THIOETHANESULFONIC ACID1-THIOETHANEsulphonate1-THIOETHANEsulphonic acid2-Mercaptoethanesulfonate2-Mercaptoethanesulfonic acid2-Mercaptoethanesulphonate2-Mercaptoethanesulphonic acid2-Mercaptoethylsulfonate2-Mercaptoethylsulfonic acid2-Mercaptoethylsulphonate2-Mercaptoethylsulphonic acid2-Sulfanylethanesulfonate2-Sulfanylethanesulfonic acid2-Sulfanylethylsulfonate2-Sulfanylethylsulfonic acid2-Sulphanylethanesulphonate2-Sulphanylethanesulphonic acid2-Sulphanylethylsulphonate2-Sulphanylethylsulphonic acidb-Mercaptoethanesulfonateb-Mercaptoethanesulfonic acidb-Mercaptoethanesulphonateb-Mercaptoethanesulphonic acidBeta-MercaptoethanesulfonateBeta-Mercaptoethanesulfonic acidBeta-MercaptoethanesulphonateBeta-Mercaptoethanesulphonic acidCamostat mesilateCamostat mesilic acidCamostat mesylateCamostat mesylic acidCamostat monomethanesulfonateCamostat monomethanesulfonic acidCamostat monomethanesulphonateCamostat monomethanesulphonic acidCoenzima MCoenzym MCoenzyme MCoMEthanesulfonic acidEthanesulphonateEthanesulphonic acidHS-CoMReduced coenzyme MReduced CoMβ-Mercaptoethanesulfonateβ-Mercaptoethanesulfonic acidβ-Mercaptoethanesulphonateβ-Mercaptoethanesulphonic acidC20H22N4O5398.4125398.1590198344-{2-[(dimethylcarbamoyl)methoxy]-2-oxoethyl}phenyl 4-carbamimidamidobenzoatecamostat59721-29-8CN(C)C(=O)COC(=O)CC1=CC=C(OC(=O)C2=CC=C(NC(N)=N)C=C2)C=C1InChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)XASIMHXSUQUHLV-UHFFFAOYSA-NCytosolExtra-organismPeriplasmlogp1.88logs-3.80solubility6.26e-02 g/llogp1.51pka_strongest_acidic19.54pka_strongest_basic8.54iupac4-{2-[(dimethylcarbamoyl)methoxy]-2-oxoethyl}phenyl 4-carbamimidamidobenzoateaverage_mass398.4125mono_mass398.159019834smilesCN(C)C(=O)COC(=O)CC1=CC=C(OC(=O)C2=CC=C(NC(N)=N)C=C2)C=C1formulaC20H22N4O5inchiInChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)inchikeyXASIMHXSUQUHLV-UHFFFAOYSA-Npolar_surface_area134.81refractivity117.77polarizability41.93rotatable_bond_count9acceptor_count6donor_count3physiological_charge1formal_charge0Specdb::CMs109195Specdb::CMs121924Specdb::MsMs33221Specdb::MsMs33222Specdb::MsMs33223Specdb::MsMs3421247Specdb::MsMs3421248Specdb::MsMs3421249Specdb::MsMs26663Specdb::MsMs26664Specdb::MsMs26665Specdb::MsMs3421244Specdb::MsMs3421245Specdb::MsMs34212465284360244017905CPD-10434Alkanesulfonate monooxygenaseP80645SSUD_ECOLIssuDhttp://ecmdb.ca/proteins/P80645.xmlPutative aliphatic sulfonates transport permease protein ssuCP75851SSUC_ECOLIssuChttp://ecmdb.ca/proteins/P75851.xmlPutative aliphatic sulfonates-binding proteinP75853SSUA_ECOLIssuAhttp://ecmdb.ca/proteins/P75853.xmlAliphatic sulfonates import ATP-binding protein SsuBP0AAI1SSUB_ECOLIssuBhttp://ecmdb.ca/proteins/P0AAI1.xmlPutative aliphatic sulfonates transport permease protein ssuCP75851SSUC_ECOLIssuChttp://ecmdb.ca/proteins/P75851.xmlPutative aliphatic sulfonates-binding proteinP75853SSUA_ECOLIssuAhttp://ecmdb.ca/proteins/P75853.xmlOuter membrane protein NP77747OMPN_ECOLIompNhttp://ecmdb.ca/proteins/P77747.xmlOuter membrane pore protein EP02932PHOE_ECOLIphoEhttp://ecmdb.ca/proteins/P02932.xmlOuter membrane protein FP02931OMPF_ECOLIompFhttp://ecmdb.ca/proteins/P02931.xmlAliphatic sulfonates import ATP-binding protein SsuBP0AAI1SSUB_ECOLIssuBhttp://ecmdb.ca/proteins/P0AAI1.xmlOuter membrane protein CP06996OMPC_ECOLIompChttp://ecmdb.ca/proteins/P06996.xmlAdenosine triphosphate + Water + Ethanesulfonate > ADP + Ethanesulfonate + Hydrogen ion + PhosphateAdenosine triphosphate + Water + Ethanesulfonate > ADP + Ethanesulfonate + Hydrogen ion + PhosphateEthanesulfonate + FMNH + Oxygen > Acetaldehyde + Flavin Mononucleotide + Hydrogen ion + Water + Sulfite